3-[5-[(5-methylpyrazin-2-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(5-methylpyrazin-2-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(5-methylpyrazine-2-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(5-methylpyrazine-2-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(5-methylpyrazinoyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-14-11-24-18(12-23-14)22(30)26-16-7-8-19-17(9-16)25-13-27(19)20(10-21(28)29)15-5-3-2-4-6-15/h2-9,11-13,20H,10H2,1H3,(H,26,30)(H,28,29)